2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine

C9H11BrN4O2 — CID 168590552

IUPAC2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(Br)c(C=NN=C(N)N)cc1O
InChIInChI=1S/C9H11BrN4O2/c1-16-8-3-6(10)5(2-7(8)15)4-13-14-9(11)12/h2-4,15H,1H3,(H4,11,12,14)
InChIKeySJDXNKHBQTZQCR-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.77
Rot. Bonds3

About 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine

2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine (PubChem CID 168590552) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
PubChem CID168590552
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(Br)c(C=NN=C(N)N)cc1O
InChIInChI=1S/C9H11BrN4O2/c1-16-8-3-6(10)5(2-7(8)15)4-13-14-9(11)12/h2-4,15H,1H3,(H4,11,12,14)
InChIKeySJDXNKHBQTZQCR-UHFFFAOYSA-N
XLogP0.77
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methoxy-5-[(E)-(sulfanylhydrazinylidene)methyl]phenol
CID 164566061
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 169482902
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135851173
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 129396730
2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168591189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine (CID 168590552) is 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine is COc1cc(Br)c(C=NN=C(N)N)cc1O.
What is the InChIKey of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is SJDXNKHBQTZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c1-16-8-3-6(10)5(2-7(8)15)4-13-14-9(11)12/h2-4,15H,1H3,(H4,11,12,14).
What are the key properties of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine?
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 287.12 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168590552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).